| 132296-99-2

• CAS: 132296-99-2
• 化学式: C₂₄H₂₀B*C₄₅H₄₅P₃Rh
• 分子量: 1100.91
• InChiKey: JFWNQLZQTKMDKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  、 四苯硼钠 在 H₂ 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Coupling of two ethyne molecules at rhodium versus coupling of two rhodium atoms at ethyne. 2. Implications for the reactivity. Catalytic and stoichiometric functionalization reactions of ethyne

  摘要：

  The rhodacyclopentadiene complex [(triphos)RhCl(eta-2-C4H4)] (3) has been synthesized by treatment of [(triphos)RhCl(C2H4)] (1) in CH2Cl2 with an excess of ethyne (triphos = MeC(CH2PPh2)3. Complex 3 catalyzes under very mild conditions the cyclotrimerization of ethyne to benzene as well as the cyclocooligomerization of ethyne with acetonitrile to 2-picoline. A plausible catalysis cycle for both reactions is proposed on the basis of multiform experimental evidence. Complex 3 is a potential synthon for the preparation of a variety of heterocyclic compounds containing the C4H4 diene moiety. As an example, 3 reacts with dimethyl acetylenedicarboxylate, carbon disulfide, and cyclo-octasulfur, producing dimethyl phthalate, dithiopyrone, and thiophene, respectively. Carbon monoxide reacts with 3 in the presence of TIPF6, yielding [(triphos)Rh(eta-4-C4H4CO)]PF6 (10), which contains an unsubstituted cyclopentadienone ligand. By treatment with H2, 3 transforms into the eta-4-butadiene derivative [(triphos)Rh(eta-4-C4H6)BPh4 (13). The chemistry of 3 has been compared to and contrasted with that of the related perpendicular mu-C2H2 complex [(triphos)Rh(mu-Cl)(mu-eta-2,eta-2-C2H2)Rh(triphos)]Cl (2). From this study it is concluded that coupling of two or more metal centers at acetylene may lead to inactive complexes for catalytic transformations of acetylene.

  DOI：

  10.1021/om00049a024